Chemical Properties of Verbenene (CAS 4080-46-0)

InChI

InChI=1S/C10H14/c1-7-4-5-8-6-9(7)10(8,2)3/h4-5,8-9H,1,6H2,2-3H3/t8-,9-/m1/s1

InChI Key

YOQFOABVDRBYCG-RKDXNWHRSA-N

Formula

C10H14

SMILES

C=C1C=CC2CC1C2(C)C

Molecular Weight¹

134.22

CAS

4080-46-0

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	10.66	kJ/mol	Joback Calculated Property
logPoct/wat	2.775		Crippen Calculated Property
McVol	121.440	ml/mol	McGowan Calculated Property
Inp	[928.00; 986.00]
Inp	951.00		NIST
Inp	967.00		NIST
Inp	969.00		NIST
Inp	967.00		NIST
Inp	935.00		NIST
Inp	951.00		NIST
Inp	972.20		NIST
Inp	967.00		NIST
Inp	967.00		NIST
Inp	975.00		NIST
Inp	954.00		NIST
Inp	967.00		NIST
Inp	968.00		NIST
Inp	967.00		NIST
Inp	945.00		NIST
Inp	948.00		NIST
Inp	968.00		NIST
Inp	969.00		NIST
Inp	966.00		NIST
Inp	942.00		NIST
Inp	945.00		NIST
Inp	967.00		NIST
Inp	967.00		NIST
Inp	946.00		NIST
Inp	942.00		NIST
Inp	966.00		NIST
Inp	967.00		NIST
Inp	967.00		NIST
Inp	967.00		NIST
Inp	937.00		NIST
Inp	947.00		NIST
Inp	951.00		NIST
Inp	Outlier 928.00		NIST
Inp	967.00		NIST
Inp	951.00		NIST
Inp	945.00		NIST
Inp	967.00		NIST
Inp	967.00		NIST
Inp	976.00		NIST
Inp	Outlier 928.00		NIST
Inp	946.00		NIST
Inp	975.00		NIST
Inp	Outlier 928.00		NIST
Inp	948.00		NIST
Inp	963.00		NIST
Inp	945.00		NIST
Inp	953.00		NIST
Inp	968.00		NIST
Inp	945.00		NIST
Inp	953.00		NIST
Inp	949.00		NIST
Inp	960.00		NIST
Inp	948.00		NIST
Inp	961.00		NIST
Inp	949.00		NIST
Inp	945.00		NIST
Inp	965.00		NIST
Inp	950.00		NIST
Inp	953.00		NIST
Inp	956.00		NIST
Inp	Outlier 986.00		NIST
Inp	953.00		NIST
Inp	967.00		NIST
Inp	976.00		NIST
Inp	962.00		NIST
Inp	Outlier 985.00		NIST
Inp	968.00		NIST
Inp	968.00		NIST
Inp	976.00		NIST
Inp	946.00		NIST
Inp	976.00		NIST
Inp	946.00		NIST
Inp	954.00		NIST
Inp	968.00		NIST
Inp	969.00		NIST
Inp	967.00		NIST
I	[1119.00; 1131.00]
I	1120.00		NIST
I	1127.00		NIST
I	1131.00		NIST
I	1123.00		NIST
I	1131.00		NIST
I	1119.00		NIST
I	1119.00		NIST
I	1126.00		NIST
I	1120.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[258.21; 343.46]	J/mol×K	[439.84; 649.54]
Cp,gas	258.21	J/mol×K	439.84	Joback Calculated Property
Cp,gas	275.30	J/mol×K	474.79	Joback Calculated Property
Cp,gas	291.05	J/mol×K	509.74	Joback Calculated Property
Cp,gas	305.61	J/mol×K	544.69	Joback Calculated Property
Cp,gas	319.11	J/mol×K	579.64	Joback Calculated Property
Cp,gas	331.68	J/mol×K	614.59	Joback Calculated Property
Cp,gas	343.46	J/mol×K	649.54	Joback Calculated Property

Similar Compounds

Find more compounds similar to Verbenene.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.